Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.
Compound
| ID: | 1315 | |
|---|---|---|
| Name: | N-methyl-1-[2-(propan-2-yl)phenoxy]methanimidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: n-methyl-2-isopropylphenylcarbamate | |
| Labels: | ||
| CAS: | 2631-40-5 | |
| InChi Code: | InChI=1S/C11H15NO2/c1-8(2)9-6-4-5-7-10(9)14-11(13)12-3/h4-8H,1-3H3,(H,12,13) |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -1.254174539 |
experimental value |
| -0.9799 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |